SCHEMBL1193583

SCHEMBL1193583

COc1cc2c(cc1OC)CN(C(=O)NCCCCO)CC2

nearest known ligand 0.57

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
THRB P10828 1/20 0.57
GPR183 P32249 1/20 0.55
POLB P06746 1/20 0.53
HSD17B10 Q99714 2/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
KMT2A Q03164 4/20 0.51
MEN1 O00255 3/20 0.51
MAPK1 P28482 1/20 0.51
NPC1 O15118 1/20 0.51
TMEM97 Q5BJF2 1/20 0.50
SIGMAR1 Q99720 1/20 0.50
MAPT P10636 1/20 0.49
NPSR1 Q6W5P4 1/20 0.49
HRH3 Q9Y5N1 1/20 0.49

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL1193925 0.86 THRB (0.55) THRBGPR183POLBHSD17B10ALDH1A1
SCHEMBL19376073 0.78 POLB (0.56) THRBGPR183POLBHSD17B10ALDH1A1
SCHEMBL31657813 0.78 POLB (0.56) THRBGPR183POLBHSD17B10ALDH1A1
SCHEMBL3149402 0.78 ALDH1A1 (0.57) POLBHSD17B10ALDH1A1HPGDKMT2A
SCHEMBL5467759 0.76 KMT2A (0.64) THRBGPR183POLBHSD17B10ALDH1A1
SCHEMBL22196923 0.75 KMT2A (0.66) POLBHSD17B10ALDH1A1HPGDKMT2A
SCHEMBL21255890 0.75 KMT2A (0.66) POLBHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL7006650 0.74 MAPK1 (0.65) THRBHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL2873071 0.74 MAPK1 (0.65) THRBHSD17B10ALDH1A1KMT2AMEN1
SCHEMBL38650907 0.74 ALDH1A1 (0.53) POLBHSD17B10ALDH1A1HPGDKMT2A

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110046153-A1 Medicaments MOTAC NEUROSCIENCE LIMITED (GB) 2011-02-24 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20110046153-A1 Medicaments MTNR1A, SIGMAR1, OPRK1 THRB 525/4885GPR183 166/4885POLB 3664/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.